#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou s LEU 2 N 0.00 -0.72 0.39 4.03 2.96 -1.26 -5.01 118.68 119.07 1sou s LEU 2 Ca 0.00 1.31 0.17 0.00 -0.22 0.00 0.00 54.13 55.39 1sou s LEU 2 Cb 0.00 2.44 0.80 0.00 0.50 0.00 0.00 46.19 49.92 1sou s LEU 2 CO 0.00 -0.29 1.82 0.07 -1.32 0.00 0.00 176.35 176.63 1sou h LYS 3 N 4.67 0.00 -0.20 1.98 -0.00 -1.99 -0.11 116.57 120.92 1sou h LYS 3 Ca -0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.22 1sou h LYS 3 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.38 1sou h LYS 3 CO 0.10 0.35 -0.49 0.77 -0.00 0.00 0.00 179.45 180.19 1sou h SER 4 N 0.00 0.57 0.34 7.07 0.02 -1.96 0.16 113.55 119.76 1sou h SER 4 Ca -0.00 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1sou h SER 4 Cb 0.71 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1sou h SER 4 CO 0.05 0.97 -0.17 -0.08 -1.14 0.00 0.00 176.83 176.46 1sou h GLU 5 N 0.42 -0.44 -0.56 3.45 4.81 -1.75 -2.32 114.58 118.18 1sou h GLU 5 Ca 0.02 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1sou h GLU 5 Cb 1.00 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1sou h GLU 5 CO 0.09 -0.24 0.31 1.25 -0.73 0.00 0.00 179.01 179.69 1sou h LEU 6 N -0.56 0.47 -0.83 1.64 5.85 -0.99 -2.75 115.31 118.15 1sou h LEU 6 Ca -0.05 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1sou h LEU 6 Cb 0.41 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 1sou h LEU 6 CO 0.08 0.32 0.48 -0.09 -0.34 0.00 0.00 178.44 178.89 1sou h ARG 7 N 0.60 0.78 -0.41 1.25 2.43 -0.55 -0.64 114.38 117.84 1sou h ARG 7 Ca 0.24 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1sou h ARG 7 Cb 0.10 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1sou h ARG 7 CO -0.14 0.52 -0.13 -0.22 -1.51 0.00 0.00 179.97 178.48 1sou h LYS 8 N 0.80 0.75 -0.53 0.20 3.64 -1.13 0.58 116.57 120.88 1sou h LYS 8 Ca 0.40 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1sou h LYS 8 Cb 0.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1sou h LYS 8 CO -0.24 0.85 0.04 0.87 -2.27 0.00 0.00 179.45 178.70 1sou h LYS 9 N 0.68 0.87 -0.36 1.90 1.57 -1.06 -0.42 116.57 119.75 1sou h LYS 9 Ca 0.11 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1sou h LYS 9 Cb 0.61 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1sou h LYS 9 CO 0.04 0.85 -0.37 0.28 -0.57 0.00 0.00 179.45 179.68 1sou h VAL 10 N 0.82 1.28 -0.52 0.50 2.07 -0.62 -2.88 116.25 116.90 1sou h VAL 10 Ca 0.16 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 1sou h VAL 10 Cb 0.43 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1sou h VAL 10 CO 0.02 0.51 0.03 0.25 0.02 0.00 0.00 177.57 178.40 1sou h LEU 11 N 0.71 0.81 -0.37 2.57 5.85 -0.60 -2.97 115.31 121.29 1sou h LEU 11 Ca 0.06 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1sou h LEU 11 Cb 0.94 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1sou h LEU 11 CO 0.09 0.85 0.11 -0.74 -0.34 0.00 0.00 178.44 178.41 1sou h HIS 12 N 0.79 0.19 0.00 1.25 2.76 -0.87 -0.95 115.15 118.32 1sou h HIS 12 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1sou h HIS 12 Cb 0.43 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1sou h HIS 12 CO 0.02 0.06 0.00 0.36 -1.30 0.00 0.00 177.93 177.08 1sou n LYS 13 N -5.05 0.85 -0.11 5.26 2.85 -1.12 -1.87 118.16 118.97 1sou n LYS 13 Ca 0.02 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.04 1sou n LYS 13 Cb 0.15 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.92 1sou n LYS 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1sou n ARG 14 N -1.01 0.59 0.03 -1.58 0.63 -0.42 -4.45 116.66 110.46 1sou n ARG 14 Ca 0.20 0.45 0.13 0.00 -0.92 0.00 0.00 57.85 57.71 1sou n ARG 14 Cb 0.10 -1.67 0.35 0.00 0.45 0.00 0.00 32.46 31.69 1sou n ARG 14 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1sou n ILE 15 N -4.27 0.18 1.18 5.15 -5.35 -0.84 -3.42 119.36 112.00 1sou n ILE 15 Ca -0.39 -0.11 0.10 0.00 -0.27 0.00 0.00 62.75 62.08 1sou n ILE 15 Cb 0.78 -0.16 0.34 0.00 -1.74 0.00 0.00 39.64 38.86 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N -1.77 1.68 -4.79 7.28 5.15 -0.78 -4.89 115.26 117.13 1sou n ASN 16 Ca 0.05 -1.75 -0.34 0.00 -0.60 0.00 0.00 54.58 51.94 1sou n ASN 16 Cb 0.38 -0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.48 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sou s LEU 17 N -1.48 3.82 0.46 1.20 1.43 -1.22 -5.01 118.68 117.87 1sou s LEU 17 Ca 0.31 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 55.21 1sou s LEU 17 Cb 0.17 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 1sou s LEU 17 CO 0.25 -0.94 1.14 -0.44 0.23 0.00 0.00 176.35 176.59 1sou s SER 18 N -1.88 6.23 0.22 2.29 0.01 -1.26 -4.85 113.70 114.45 1sou s SER 18 Ca 0.69 2.25 -0.08 0.00 1.31 0.00 0.00 55.95 60.12 1sou s SER 18 Cb -0.19 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.61 1sou s SER 18 CO 0.23 -0.87 1.81 -0.33 0.41 0.00 0.00 173.24 174.49 1sou h GLU 19 N 2.04 1.19 -0.24 12.44 4.39 -1.97 0.13 114.58 132.56 1sou h GLU 19 Ca -0.49 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.09 1sou h GLU 19 Cb 1.24 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.61 1sou h GLU 19 CO 0.60 0.92 -0.20 0.93 -1.16 0.00 0.00 179.01 180.10 1sou h GLU 20 N 1.18 -0.20 0.03 2.33 4.39 -2.01 -1.66 114.58 118.64 1sou h GLU 20 Ca 0.28 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.76 1sou h GLU 20 Cb 0.12 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1sou h GLU 20 CO -0.04 -0.13 -1.13 1.05 -1.16 0.00 0.00 179.01 177.60 1sou h GLU 21 N -0.21 0.07 -0.20 2.33 4.11 -1.91 -3.22 114.58 115.55 1sou h GLU 21 Ca 0.14 -0.12 0.03 0.00 0.07 0.00 0.00 59.36 59.48 1sou h GLU 21 Cb 0.41 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1sou h GLU 21 CO -0.36 1.01 0.00 -0.09 0.07 0.00 0.00 179.01 179.64 1sou h ARG 22 N 0.02 0.06 -0.07 1.06 2.43 -0.40 0.14 114.38 117.63 1sou h ARG 22 Ca -0.07 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1sou h ARG 22 Cb 1.84 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1sou h ARG 22 CO 0.14 0.04 -0.41 0.07 -1.51 0.00 0.00 179.97 178.31 1sou h ARG 23 N 0.07 0.16 0.13 0.20 0.11 -1.42 -1.51 114.38 112.11 1sou h ARG 23 Ca 0.09 -0.07 -0.28 0.00 0.10 0.00 0.00 59.98 59.82 1sou h ARG 23 Cb 0.11 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1sou h ARG 23 CO -0.15 0.54 -1.26 -0.09 0.10 0.00 0.00 179.97 179.11 1sou h ARG 24 N 0.13 0.27 -0.27 0.08 2.43 -1.43 0.13 114.38 115.73 1sou h ARG 24 Ca 0.01 -0.46 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1sou h ARG 24 Cb 0.78 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1sou h ARG 24 CO 0.06 1.22 0.04 -0.07 -1.51 0.00 0.00 179.97 179.71 1sou h LEU 25 N 0.07 0.42 -1.30 3.80 3.38 -0.67 -1.53 115.31 119.49 1sou h LEU 25 Ca -0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1sou h LEU 25 Cb 1.97 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1sou h LEU 25 CO 0.20 0.57 -0.06 0.28 0.09 0.00 0.00 178.44 179.52 1sou h SER 26 N 0.25 0.37 -0.57 -0.43 0.02 -1.25 -1.86 113.55 110.08 1sou h SER 26 Ca 0.08 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1sou h SER 26 Cb 0.33 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1sou h SER 26 CO 0.00 0.48 0.24 -0.08 -1.14 0.00 0.00 176.83 176.34 1sou h GLU 27 N 0.38 0.85 -0.97 3.45 4.81 -0.47 0.15 114.58 122.78 1sou h GLU 27 Ca 0.08 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1sou h GLU 27 Cb 0.35 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1sou h GLU 27 CO 0.02 0.72 0.63 0.87 -0.73 0.00 0.00 179.01 180.52 1sou h LYS 28 N 0.78 1.28 -0.27 1.92 1.57 -0.78 -0.69 116.57 120.38 1sou h LYS 28 Ca 0.19 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1sou h LYS 28 Cb 0.18 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1sou h LYS 28 CO -0.02 0.85 0.04 0.28 -0.57 0.00 0.00 179.45 180.04 1sou h VAL 29 N 1.31 1.23 -0.34 0.50 2.07 -0.53 0.13 116.25 120.62 1sou h VAL 29 Ca 0.35 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1sou h VAL 29 Cb -0.14 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1sou h VAL 29 CO -0.07 0.25 0.19 0.40 0.02 0.00 0.00 177.57 178.36 1sou h ILE 30 N 0.26 1.02 -0.44 4.57 2.04 -0.46 0.15 117.51 124.65 1sou h ILE 30 Ca 0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1sou h ILE 30 Cb 0.33 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1sou h ILE 30 CO 0.01 0.07 0.29 -1.28 0.00 0.00 0.00 178.15 177.24 1sou h SER 31 N 0.39 0.50 -0.47 1.72 0.87 -0.99 -1.55 113.55 114.03 1sou h SER 31 Ca 0.14 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1sou h SER 31 Cb 0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1sou h SER 31 CO -0.07 0.37 0.28 -1.13 -0.53 0.00 0.00 176.83 175.75 1sou h ASN 32 N 0.59 0.56 -0.74 6.23 -0.73 -0.25 -0.15 115.58 121.09 1sou h ASN 32 Ca 0.16 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1sou h ASN 32 Cb -0.07 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.34 1sou h ASN 32 CO -0.03 0.45 0.47 0.25 -0.37 0.00 0.00 177.43 178.19 1sou h LEU 33 N 0.63 0.87 -1.06 0.34 6.46 -0.45 -1.06 115.31 121.04 1sou h LEU 33 Ca 0.17 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1sou h LEU 33 Cb -0.01 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 1sou h LEU 33 CO -0.03 0.65 -0.34 0.11 -0.62 0.00 0.00 178.44 178.21 1sou h LYS 34 N 1.00 0.00 0.00 1.25 1.57 -0.93 -2.63 116.57 116.84 1sou h LYS 34 Ca 0.27 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1sou h LYS 34 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1sou h LYS 34 CO -0.05 0.34 -0.24 0.77 -0.57 0.00 0.00 179.45 179.70 1sou h SER 35 N 0.00 0.00 -2.43 0.86 0.02 0.21 -3.44 113.55 108.77 1sou h SER 35 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1sou h SER 35 Cb 0.82 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.39 1sou h SER 35 CO 0.04 0.24 1.19 -0.76 -1.14 0.00 0.00 176.83 176.41 1sou s LEU 36 N -6.68 4.42 0.64 5.07 1.43 -0.69 -4.86 118.68 118.03 1sou s LEU 36 Ca 0.01 2.72 0.41 0.00 -1.03 0.00 0.00 54.13 56.24 1sou s LEU 36 Cb 0.09 -3.54 2.24 0.00 0.03 0.00 0.00 46.19 45.01 1sou s LEU 36 CO 0.65 -1.04 2.33 -0.65 0.23 0.00 0.00 176.35 177.87 1sou h PRO 37 N 9.82 0.00 -0.03 1.29 0.11 -1.88 -1.83 132.00 139.49 1sou h PRO 37 Ca -0.48 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 1sou h PRO 37 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 1sou h PRO 37 CO 0.94 0.00 -0.99 0.93 -0.21 0.00 0.00 178.00 178.67 1sou h GLU 38 N 0.00 0.70 -0.78 1.05 4.39 -1.93 -3.24 114.58 114.78 1sou h GLU 38 Ca -0.00 -0.72 0.03 0.00 0.34 0.00 0.00 59.36 59.01 1sou h GLU 38 Cb 0.03 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 1sou h GLU 38 CO 0.00 1.30 0.52 0.35 -1.16 0.00 0.00 179.01 180.02 1sou h PHE 39 N 0.41 0.93 -0.42 4.33 3.57 -1.59 0.51 116.94 124.68 1sou h PHE 39 Ca -0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.30 1sou h PHE 39 Cb 1.64 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1sou h PHE 39 CO 0.10 0.55 -0.18 0.87 -2.23 0.00 0.00 178.31 177.42 1sou h LYS 40 N 0.97 0.80 0.02 1.11 1.57 -1.64 -3.31 116.57 116.10 1sou h LYS 40 Ca 0.31 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sou h LYS 40 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1sou h LYS 40 CO -0.09 0.92 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.49 1sou h LYS 41 N 0.71 -0.02 -6.68 3.15 3.11 -1.11 -3.45 116.57 112.28 1sou h LYS 41 Ca 0.11 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.43 1sou h LYS 41 Cb 0.68 0.01 0.06 0.00 -1.00 0.00 0.00 32.23 31.98 1sou h LYS 41 CO 0.05 0.69 0.97 -1.12 -2.81 0.00 0.00 179.45 177.23 1sou s SER 42 N -5.98 6.41 -0.15 4.20 0.01 0.16 -4.92 113.70 113.43 1sou s SER 42 Ca -0.15 2.85 -0.10 0.00 1.31 0.00 0.00 55.95 59.86 1sou s SER 42 Cb -0.02 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.36 1sou s SER 42 CO 0.54 -0.94 0.31 1.17 0.41 0.00 0.00 173.24 174.72 1sou n LYS 43 N 3.60 0.71 -2.95 12.44 4.81 -1.26 -4.80 118.16 130.71 1sou n LYS 43 Ca 0.14 0.33 -0.43 0.00 -0.87 0.00 0.00 58.31 57.48 1sou n LYS 43 Cb 0.36 -1.71 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1sou s LYS 44 N -2.51 3.30 -0.31 1.64 3.01 -1.26 -0.34 119.74 123.26 1sou s LYS 44 Ca -0.24 -0.38 -0.02 0.00 -1.01 0.00 0.00 55.97 54.32 1sou s LYS 44 Cb 0.07 -4.03 0.06 0.00 -1.01 0.00 0.00 37.83 32.91 1sou s LYS 44 CO 0.72 -1.32 0.02 0.08 0.51 0.00 0.00 175.35 175.37 1sou s VAL 45 N 3.43 2.98 -0.31 3.17 1.01 -0.36 -0.78 120.40 129.54 1sou s VAL 45 Ca 0.26 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 1sou s VAL 45 Cb -0.14 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1sou s VAL 45 CO 0.18 -0.19 0.45 0.00 0.00 0.00 0.00 175.10 175.54 1sou s ALA 46 N 1.22 3.53 -0.24 5.51 0.00 0.48 -1.00 121.76 131.26 1sou s ALA 46 Ca -0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1sou s ALA 46 Cb -0.20 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1sou s ALA 46 CO -0.02 -0.94 0.08 -0.51 0.00 0.00 0.00 175.76 174.38 1sou s LEU 47 N 2.23 3.58 0.00 0.00 1.43 -0.25 -0.39 118.68 125.28 1sou s LEU 47 Ca 0.17 -0.13 0.25 0.00 -1.03 0.00 0.00 54.13 53.40 1sou s LEU 47 Cb -0.16 -1.96 1.23 0.00 0.03 0.00 0.00 46.19 45.34 1sou s LEU 47 CO 0.11 0.01 1.84 0.00 0.23 0.00 0.00 176.35 178.53 1sou n TYR 48 N 4.66 0.00 -0.95 0.29 9.36 -0.98 -4.19 117.16 125.35 1sou n TYR 48 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 1sou n TYR 48 Cb 0.52 -0.32 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -3.81 4.34 0.01 0.00 0.04 -1.26 -4.92 135.00 129.40 1sou s PRO 50 Ca 0.00 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1sou s PRO 50 Cb 0.00 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1sou s PRO 50 CO 0.00 -0.19 -0.04 0.96 0.04 0.00 0.00 177.00 177.77 1sou s ILE 51 N 1.67 3.86 0.00 0.56 -4.36 -1.26 -4.66 121.20 117.01 1sou s ILE 51 Ca 0.37 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 1sou s ILE 51 Cb -0.17 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.82 1sou s ILE 51 CO 0.14 0.35 0.00 0.29 0.24 0.00 0.00 174.94 175.96 1sou n LYS 52 N 1.36 0.00 0.00 0.37 5.02 -1.26 -3.99 118.16 119.66 1sou n LYS 52 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1sou n LYS 52 Cb 0.52 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 53 N 0.00 -1.93 5.22 0.72 0.00 -1.26 -5.00 105.19 102.94 1sou n GLY 53 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1sou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sou n GLU 54 N 0.00 0.00 -3.68 1.61 -0.58 -1.26 -4.30 120.64 112.44 1sou n GLU 54 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1sou n GLU 54 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sou s VAL 55 N 0.00 -0.10 -1.00 2.62 1.01 -1.26 -4.84 120.40 116.84 1sou s VAL 55 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1sou s VAL 55 Cb 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.75 1sou s VAL 55 CO 0.00 0.03 1.38 -0.62 0.00 0.00 0.00 175.10 175.89 1sou s ASP 56 N 1.59 6.52 0.00 3.32 2.15 -1.26 -4.68 116.67 124.30 1sou s ASP 56 Ca -0.09 -1.57 0.21 0.00 0.43 0.00 0.00 52.55 51.53 1sou s ASP 56 Cb -0.08 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 1sou s ASP 56 CO -0.14 -1.42 1.38 0.18 -0.17 0.00 0.00 175.17 175.01 1sou n LEU 57 N 8.38 3.44 -0.21 -1.34 4.77 -1.26 -4.62 117.00 126.16 1sou n LEU 57 Ca 0.31 -1.66 -0.07 0.00 -0.03 0.00 0.00 56.01 54.56 1sou n LEU 57 Cb 0.51 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1sou n LEU 57 CO 0.63 0.79 1.08 0.74 -1.33 0.00 0.00 177.39 179.29 1sou h THR 58 N 3.99 1.18 0.00 -5.08 2.02 -2.01 -2.36 112.91 110.65 1sou h THR 58 Ca 0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1sou h THR 58 Cb 0.93 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1sou h THR 58 CO 0.00 0.18 0.00 -0.81 0.37 0.00 0.00 175.52 175.26 1sou n PRO 59 N -4.62 0.02 0.05 6.66 -0.04 -1.26 -1.45 135.00 134.35 1sou n PRO 59 Ca 0.04 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1sou n PRO 59 Cb 0.06 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.22 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sou n LEU 60 N -1.35 0.65 -0.12 1.53 7.94 -0.89 -4.22 117.00 120.54 1sou n LEU 60 Ca 0.01 0.20 -0.05 0.00 -1.11 0.00 0.00 56.01 55.06 1sou n LEU 60 Cb 0.02 -0.20 0.02 0.00 0.53 0.00 0.00 43.42 43.78 1sou n LEU 60 CO 0.01 -0.02 0.80 -0.26 -1.11 0.00 0.00 177.39 176.81 1sou h PHE 61 N 0.00 -0.17 -0.91 1.96 -1.00 -1.39 -1.53 116.94 113.89 1sou h PHE 61 Ca 0.00 0.03 0.19 0.00 2.81 0.00 0.00 57.97 61.00 1sou h PHE 61 Cb 0.70 0.14 -0.07 0.00 3.61 0.00 0.00 35.95 40.32 1sou h PHE 61 CO 0.00 -0.15 0.59 -1.35 -1.61 0.00 0.00 178.31 175.79 1sou h PRO 62 N 0.02 0.50 -0.02 1.51 0.11 -1.81 -0.91 132.00 131.41 1sou h PRO 62 Ca 0.19 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.11 1sou h PRO 62 Cb 0.29 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1sou h PRO 62 CO -0.39 0.33 -0.73 0.93 -0.21 0.00 0.00 178.00 177.93 1sou h GLU 63 N 0.51 0.11 -0.26 1.05 5.08 -1.55 -3.00 114.58 116.52 1sou h GLU 63 Ca 0.48 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1sou h GLU 63 Cb 1.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1sou h GLU 63 CO -0.21 0.79 -0.38 0.28 -1.00 0.00 0.00 179.01 178.50 1sou h VAL 64 N 0.07 1.29 0.00 3.13 2.07 -0.69 -2.68 116.25 119.44 1sou h VAL 64 Ca -0.02 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1sou h VAL 64 Cb 1.29 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1sou h VAL 64 CO 0.10 0.49 0.00 0.18 0.02 0.00 0.00 177.57 178.36 1sou n LEU 65 N -4.04 0.00 0.19 2.57 4.77 -0.78 -0.87 117.00 118.83 1sou n LEU 65 Ca -0.01 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1sou n LEU 65 Cb 0.50 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1sou n LEU 65 CO 0.45 -0.15 0.34 0.50 -1.33 0.00 0.00 177.39 177.20 1sou h LYS 66 N 0.00 -0.48 0.00 3.23 3.64 -1.50 -3.45 116.57 118.02 1sou h LYS 66 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sou h LYS 66 Cb 0.10 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1sou h LYS 66 CO 0.00 -0.32 0.00 -0.85 -2.27 0.00 0.00 179.45 176.01 1sou n GLU 67 N -3.86 0.00 -2.98 1.90 0.28 -1.17 -5.11 120.64 109.70 1sou n GLU 67 Ca -0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.71 1sou n GLU 67 Cb 0.20 -0.24 0.01 0.00 1.43 0.00 0.00 31.44 32.84 1sou n GLU 67 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1sou s LYS 68 N 0.00 3.10 -0.52 3.44 3.01 -0.05 -5.01 119.74 123.71 1sou s LYS 68 Ca 0.00 -0.44 -0.17 0.00 -1.01 0.00 0.00 55.97 54.34 1sou s LYS 68 Cb 0.00 -2.55 0.08 0.00 -1.01 0.00 0.00 37.83 34.35 1sou s LYS 68 CO 0.00 -0.26 0.54 -2.00 0.51 0.00 0.00 175.35 174.14 1sou s GLU 69 N -4.56 3.04 -0.87 1.68 2.56 0.54 -4.51 118.70 116.58 1sou s GLU 69 Ca 0.48 -1.27 -0.25 0.00 0.00 0.00 0.00 54.97 53.93 1sou s GLU 69 Cb -0.10 -4.18 0.02 0.00 2.00 0.00 0.00 34.13 31.87 1sou s GLU 69 CO 0.38 -1.23 1.55 -1.17 -0.56 0.00 0.00 175.26 174.23 1sou s LEU 70 N 2.12 3.32 -0.40 2.70 2.96 -0.93 -1.22 118.68 127.23 1sou s LEU 70 Ca 0.09 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 52.98 1sou s LEU 70 Cb -0.24 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1sou s LEU 70 CO 0.08 -1.94 0.76 -0.63 -1.32 0.00 0.00 176.35 173.29 1sou s ILE 71 N 6.67 4.73 0.09 6.68 1.01 -0.17 -0.37 121.20 139.84 1sou s ILE 71 Ca 0.50 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.85 1sou s ILE 71 Cb -0.05 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1sou s ILE 71 CO 0.03 -0.52 -0.03 -0.76 0.00 0.00 0.00 174.94 173.65 1sou s LEU 72 N 3.10 3.33 -0.16 2.97 1.43 -0.34 -1.09 118.68 127.91 1sou s LEU 72 Ca 0.29 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1sou s LEU 72 Cb -0.13 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1sou s LEU 72 CO 0.19 0.18 0.61 -2.16 0.23 0.00 0.00 176.35 175.40 1sou s PRO 73 N -2.22 4.27 -0.42 1.29 0.05 -1.26 -2.49 135.00 134.22 1sou s PRO 73 Ca 0.24 0.63 -0.10 0.00 0.05 0.00 0.00 61.00 61.82 1sou s PRO 73 Cb -0.11 -3.53 0.07 0.00 0.05 0.00 0.00 34.50 30.97 1sou s PRO 73 CO 0.16 -0.12 0.27 0.21 0.05 0.00 0.00 177.00 177.57 1sou s LYS 74 N 1.51 2.68 -0.84 4.56 2.20 0.45 -4.72 119.74 125.57 1sou s LYS 74 Ca 0.30 -1.39 -0.24 0.00 -0.36 0.00 0.00 55.97 54.27 1sou s LYS 74 Cb -0.16 -3.81 0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1sou s LYS 74 CO 0.12 -0.93 1.26 0.08 -0.36 0.00 0.00 175.35 175.52 1sou s VAL 75 N 1.47 4.02 -0.95 4.02 1.01 -1.26 -1.68 120.40 127.03 1sou s VAL 75 Ca 0.03 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1sou s VAL 75 Cb -0.23 -4.91 0.19 0.00 0.00 0.00 0.00 36.38 31.43 1sou s VAL 75 CO 0.03 -1.77 1.05 1.21 0.00 0.00 0.00 175.10 175.62 1sou n GLU 76 N 8.58 1.85 -1.05 2.72 2.13 -1.26 -4.97 120.64 128.64 1sou n GLU 76 Ca 0.14 -1.60 0.00 0.00 0.66 0.00 0.00 57.16 56.36 1sou n GLU 76 Cb 0.49 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.99 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 77 N 0.43 -0.65 0.00 8.31 0.00 -1.26 -4.94 105.19 107.08 1sou n GLY 77 Ca 0.08 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1sou n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sou n ASN 78 N 0.00 0.00 -4.39 1.61 4.13 -1.26 -4.68 115.26 110.67 1sou n ASN 78 Ca 0.00 -0.03 -0.31 0.00 1.68 0.00 0.00 54.58 55.92 1sou n ASN 78 Cb 0.00 -0.31 -0.14 0.00 -1.54 0.00 0.00 39.78 37.79 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1sou s GLU 79 N -2.62 2.02 -0.26 3.52 2.02 -1.26 -4.32 118.70 117.81 1sou s GLU 79 Ca 0.25 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 1sou s GLU 79 Cb 0.18 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1sou s GLU 79 CO 0.43 0.54 0.16 0.42 0.02 0.00 0.00 175.26 176.84 1sou s ILE 80 N -0.81 5.26 -0.19 -1.63 -1.09 -1.26 -4.12 121.20 117.36 1sou s ILE 80 Ca 0.12 0.15 -0.24 0.00 -2.23 0.00 0.00 60.65 58.45 1sou s ILE 80 Cb -0.10 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1sou s ILE 80 CO 0.03 0.31 0.78 -0.44 -1.23 0.00 0.00 174.94 174.38 1sou s SER 81 N 1.36 6.85 -0.17 3.58 0.01 -0.68 -4.87 113.70 119.79 1sou s SER 81 Ca 0.07 1.05 -0.08 0.00 1.31 0.00 0.00 55.95 58.30 1sou s SER 81 Cb -0.15 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1sou s SER 81 CO 0.07 -0.39 0.11 -0.76 0.41 0.00 0.00 173.24 172.67 1sou s LEU 82 N 2.26 4.12 0.04 2.44 1.43 -1.26 -0.42 118.68 127.30 1sou s LEU 82 Ca 0.35 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 1sou s LEU 82 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1sou s LEU 82 CO 0.11 0.25 -0.16 -0.31 0.23 0.00 0.00 176.35 176.47 1sou s TYR 83 N -0.08 1.37 -0.17 0.29 1.51 -1.04 -0.38 117.35 118.87 1sou s TYR 83 Ca 0.09 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1sou s TYR 83 Cb -0.12 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1sou s TYR 83 CO 0.00 0.06 0.13 -0.98 -1.11 0.00 0.00 175.55 173.65 1sou s ARG 84 N -1.22 3.86 -0.02 -0.62 1.70 0.46 -1.20 118.95 121.91 1sou s ARG 84 Ca 0.03 -0.18 0.06 0.00 -0.47 0.00 0.00 55.73 55.16 1sou s ARG 84 Cb -0.08 -3.32 -0.01 0.00 -0.57 0.00 0.00 34.95 30.97 1sou s ARG 84 CO 0.02 0.51 -0.20 0.08 -1.08 0.00 0.00 175.30 174.63 1sou s VAL 85 N -0.24 1.56 0.00 4.99 1.01 0.50 -3.55 120.40 124.66 1sou s VAL 85 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1sou s VAL 85 Cb -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1sou s VAL 85 CO 0.01 0.44 0.00 1.41 0.00 0.00 0.00 175.10 176.96 1sou n HIS 86 N 2.66 0.00 -4.36 5.22 8.25 -1.26 -2.18 115.22 123.55 1sou n HIS 86 Ca -0.15 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.97 1sou n HIS 86 Cb 0.53 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.53 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1sou s SER 87 N -2.35 4.96 0.01 0.41 0.01 -1.26 -4.81 113.70 110.67 1sou s SER 87 Ca 0.00 -0.06 0.09 0.00 1.31 0.00 0.00 55.95 57.28 1sou s SER 87 Cb 0.00 -1.74 0.37 0.00 0.21 0.00 0.00 66.02 64.86 1sou s SER 87 CO 0.00 0.20 1.28 -0.81 0.41 0.00 0.00 173.24 174.32 1sou n PRO 88 N 3.30 0.01 0.04 12.44 -0.04 -1.26 -1.94 135.00 147.55 1sou n PRO 88 Ca -0.17 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1sou n PRO 88 Cb 0.53 -1.51 0.52 0.00 -0.04 0.00 0.00 33.50 32.99 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sou n ALA 89 N -1.51 2.23 1.41 0.55 0.00 -1.26 -3.09 120.51 118.85 1sou n ALA 89 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1sou n ALA 89 Cb 0.10 -1.45 0.19 0.00 0.00 0.00 0.00 19.45 18.29 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N -1.16 4.17 0.31 0.00 1.43 -1.18 -0.87 118.68 121.38 1sou s LEU 91 Ca 0.18 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1sou s LEU 91 Cb 0.09 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1sou s LEU 91 CO 0.13 0.36 0.21 -0.83 0.23 0.00 0.00 176.35 176.45 1sou s GLY 92 N -0.73 2.15 -0.37 -3.19 0.00 0.82 -4.86 107.32 101.14 1sou s GLY 92 Ca 0.13 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 43.01 1sou s GLY 92 CO 0.03 -1.53 0.21 0.14 0.00 0.00 0.00 173.10 171.95 1sou s VAL 93 N -3.58 0.52 -0.10 1.40 1.01 -1.26 -0.53 120.40 117.86 1sou s VAL 93 Ca 0.37 -1.93 0.05 0.00 0.00 0.00 0.00 61.98 60.47 1sou s VAL 93 Cb 0.04 -1.38 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1sou s VAL 93 CO 0.21 -0.95 0.16 0.61 0.00 0.00 0.00 175.10 175.13 1sou n GLY 94 N 3.93 0.03 0.41 4.51 0.00 -1.26 -5.03 105.19 107.78 1sou n GLY 94 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N -1.48 -0.14 0.03 4.61 0.00 -1.26 -4.99 120.51 117.28 1sou n ALA 95 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1sou n ALA 95 Cb 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 1sou n ALA 95 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sou h PHE 96 N -0.99 -0.65 0.00 0.00 0.04 -1.98 -3.41 116.94 109.95 1sou h PHE 96 Ca -0.04 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 1sou h PHE 96 Cb 0.13 0.30 -0.10 0.00 2.20 0.00 0.00 35.95 38.47 1sou h PHE 96 CO 0.00 -0.33 0.09 0.41 -0.60 0.00 0.00 178.31 177.88 1sou n GLY 97 N -1.37 -0.38 3.23 -1.45 0.00 -1.26 -5.15 105.19 98.81 1sou n GLY 97 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N 0.06 1.14 -0.60 -0.61 -4.36 -1.26 -5.02 121.20 110.55 1sou s ILE 98 Ca 0.07 -1.86 -0.25 0.00 -0.26 0.00 0.00 60.65 58.36 1sou s ILE 98 Cb 0.13 -1.63 0.05 0.00 1.25 0.00 0.00 42.46 42.25 1sou s ILE 98 CO -0.03 -0.62 1.02 -0.04 0.24 0.00 0.00 174.94 175.51 1sou s MET 99 N -3.22 3.28 0.09 0.37 -1.94 -1.26 -4.52 119.30 112.11 1sou s MET 99 Ca 0.12 -0.34 -0.07 0.00 -1.71 0.00 0.00 55.69 53.69 1sou s MET 99 Cb -0.01 -4.11 -0.06 0.00 2.01 0.00 0.00 34.83 32.67 1sou s MET 99 CO 0.01 -1.67 0.37 -1.83 -0.01 0.00 0.00 175.02 171.89 1sou s GLU 100 N 4.32 3.67 -0.58 2.03 -1.05 0.31 -4.85 118.70 122.54 1sou s GLU 100 Ca 0.30 0.02 -0.28 0.00 -0.15 0.00 0.00 54.97 54.87 1sou s GLU 100 Cb -0.12 -2.95 0.03 0.00 -0.44 0.00 0.00 34.13 30.65 1sou s GLU 100 CO 0.17 0.54 1.19 -1.25 0.95 0.00 0.00 175.26 176.86 1sou s PRO 101 N -2.20 3.50 0.16 -4.83 0.04 -1.26 -0.13 135.00 130.28 1sou s PRO 101 Ca 0.35 0.23 0.23 0.00 0.04 0.00 0.00 61.00 61.85 1sou s PRO 101 Cb -0.13 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 1sou s PRO 101 CO 0.20 -1.69 0.97 1.33 0.04 0.00 0.00 177.00 177.85 1sou n VAL 102 N 6.66 0.49 -4.07 -0.36 0.24 -0.05 -4.88 118.33 116.35 1sou n VAL 102 Ca 0.08 -0.51 -0.04 0.00 -2.04 0.00 0.00 64.34 61.83 1sou n VAL 102 Cb 0.49 -0.24 -0.02 0.00 -1.47 0.00 0.00 33.84 32.60 1sou n VAL 102 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sou n GLU 103 N -2.54 0.33 0.00 7.34 1.02 -1.14 -5.07 120.64 120.58 1sou n GLU 103 Ca -0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1sou n GLU 103 Cb 0.54 0.50 0.00 0.00 -0.02 0.00 0.00 31.44 32.46 1sou n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sou n GLY 104 N 0.45 0.91 2.90 0.62 0.00 -1.26 -4.82 105.19 103.99 1sou n GLY 104 Ca 0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1sou n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sou s GLU 105 N 0.00 0.05 0.54 1.61 -6.30 -1.23 -5.02 118.70 108.34 1sou s GLU 105 Ca 0.00 0.11 -0.14 0.00 -2.50 0.00 0.00 54.97 52.44 1sou s GLU 105 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 34.13 34.04 1sou s GLU 105 CO 0.00 -0.04 0.98 -0.98 0.02 0.00 0.00 175.26 175.24 1sou s ARG 106 N 0.26 3.84 0.02 4.30 1.04 -1.26 -0.41 118.95 126.74 1sou s ARG 106 Ca -0.02 0.85 0.08 0.00 -1.04 0.00 0.00 55.73 55.60 1sou s ARG 106 Cb -0.03 -2.14 -0.02 0.00 -2.04 0.00 0.00 34.95 30.72 1sou s ARG 106 CO -0.01 -0.33 -0.23 0.08 -0.04 0.00 0.00 175.30 174.76 1sou s VAL 107 N -2.76 1.88 0.09 4.99 1.01 0.49 -4.78 120.40 121.33 1sou s VAL 107 Ca 0.57 -1.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 1sou s VAL 107 Cb -0.10 -1.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 1sou s VAL 107 CO 0.38 0.37 0.55 0.54 0.00 0.00 0.00 175.10 176.93 1sou s ASN 108 N -0.97 6.96 0.33 3.32 4.22 -1.26 -4.41 114.94 123.12 1sou s ASN 108 Ca 0.09 1.18 0.11 0.00 -2.14 0.00 0.00 52.86 52.10 1sou s ASN 108 Cb -0.09 -2.33 0.95 0.00 1.28 0.00 0.00 41.25 41.07 1sou s ASN 108 CO 0.01 0.22 1.69 -0.65 -2.04 0.00 0.00 177.10 176.33 1sou h PRO 109 N 4.22 0.43 0.00 3.55 0.11 -1.98 0.99 132.00 139.32 1sou h PRO 109 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sou h PRO 109 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sou h PRO 109 CO 0.64 0.28 0.00 1.49 -0.21 0.00 0.00 178.00 180.20 1sou h GLU 110 N 0.44 0.00 0.00 1.05 4.81 -1.94 -2.66 114.58 116.28 1sou h GLU 110 Ca 0.67 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 1sou h GLU 110 Cb 1.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1sou h GLU 110 CO -0.54 0.00 -0.04 0.22 -0.73 0.00 0.00 179.01 177.92 1sou h ASP 111 N 0.00 0.00 -2.74 1.04 3.58 -1.19 -3.45 116.42 113.66 1sou h ASP 111 Ca 0.00 -0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 1sou h ASP 111 Cb 0.40 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1sou h ASP 111 CO 0.00 0.00 1.05 -0.69 -2.88 0.00 0.00 179.24 176.72 1sou s VAL 112 N -3.17 3.80 -0.08 2.25 1.01 -1.00 -4.84 120.40 118.37 1sou s VAL 112 Ca 0.08 0.95 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 1sou s VAL 112 Cb 0.08 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 1sou s VAL 112 CO 0.64 -0.15 0.58 0.44 0.00 0.00 0.00 175.10 176.61 1sou h ASP 113 N 9.49 -0.12 -3.94 3.32 3.32 -1.84 -3.36 116.42 123.28 1sou h ASP 113 Ca -0.34 -0.35 -0.51 0.00 0.02 0.00 0.00 57.03 55.85 1sou h ASP 113 Cb 1.15 0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 1sou h ASP 113 CO 0.97 0.50 -0.82 0.12 -1.72 0.00 0.00 179.24 178.29 1sou s PHE 114 N -2.62 1.41 -0.00 4.55 2.19 0.04 -0.84 117.98 122.71 1sou s PHE 114 Ca -0.10 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 56.80 1sou s PHE 114 Cb -0.00 -0.96 0.00 0.00 -1.31 0.00 0.00 43.02 40.75 1sou s PHE 114 CO 0.36 -0.12 -0.01 -1.50 1.83 0.00 0.00 175.22 175.78 1sou s ILE 115 N 0.01 0.09 -0.31 3.12 2.07 -0.09 -0.39 121.20 125.70 1sou s ILE 115 Ca -0.02 -0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.12 1sou s ILE 115 Cb -0.10 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.42 1sou s ILE 115 CO 0.01 0.03 0.08 0.00 -1.91 0.00 0.00 174.94 173.16 1sou s ALA 116 N 0.05 3.05 -0.18 1.50 0.00 0.48 -0.47 121.76 126.19 1sou s ALA 116 Ca -0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 51.96 50.38 1sou s ALA 116 Cb -0.01 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1sou s ALA 116 CO -0.00 -1.06 -0.07 0.08 0.00 0.00 0.00 175.76 174.71 1sou s VAL 117 N 1.46 3.38 0.05 0.00 1.01 0.11 -2.32 120.40 124.09 1sou s VAL 117 Ca 0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1sou s VAL 117 Cb -0.18 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1sou s VAL 117 CO 0.02 0.47 1.06 -2.84 0.00 0.00 0.00 175.10 173.80 1sou s PRO 118 N 0.94 4.54 -0.01 2.72 0.02 -1.26 -2.35 135.00 139.60 1sou s PRO 118 Ca -0.01 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.61 1sou s PRO 118 Cb -0.15 -3.40 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 1sou s PRO 118 CO 0.00 -0.07 -0.12 0.20 -0.33 0.00 0.00 177.00 176.68 1sou s GLY 119 N 0.81 0.58 0.07 0.52 0.00 -1.26 -4.79 107.32 103.25 1sou s GLY 119 Ca 0.53 -0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.57 1sou s GLY 119 CO 0.29 -0.43 1.35 -2.08 0.00 0.00 0.00 173.10 172.22 1sou h VAL 120 N 4.84 1.33 -3.28 1.40 2.07 -1.54 -3.45 116.25 117.63 1sou h VAL 120 Ca -0.33 -1.55 -0.24 0.00 0.82 0.00 0.00 66.70 65.41 1sou h VAL 120 Cb 1.17 1.83 -0.31 0.00 -1.52 0.00 0.00 31.29 32.45 1sou h VAL 120 CO 0.49 0.48 -0.60 0.00 0.02 0.00 0.00 177.57 177.96 1sou s ALA 121 N -4.13 -0.26 0.40 1.67 0.00 -1.16 -4.68 121.76 113.59 1sou s ALA 121 Ca -0.13 0.64 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1sou s ALA 121 Cb 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 1sou s ALA 121 CO 0.81 -0.15 0.14 -0.06 0.00 0.00 0.00 175.76 176.51 1sou s PHE 122 N 1.07 2.60 0.10 0.00 0.40 -0.55 -3.72 117.98 117.88 1sou s PHE 122 Ca -0.08 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1sou s PHE 122 Cb -0.11 -1.88 -0.00 0.00 0.51 0.00 0.00 43.02 41.54 1sou s PHE 122 CO -0.05 0.25 0.04 -0.40 0.70 0.00 0.00 175.22 175.76 1sou n ASP 123 N -1.18 0.82 -0.40 1.36 5.68 -1.24 -0.38 116.55 121.22 1sou n ASP 123 Ca -0.02 -1.53 0.11 0.00 -0.50 0.00 0.00 54.79 52.85 1sou n ASP 123 Cb 0.64 0.28 0.48 0.00 -1.14 0.00 0.00 41.12 41.38 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sou n LEU 124 N 0.00 1.21 -0.10 -2.12 4.77 -0.54 -3.41 117.00 116.81 1sou n LEU 124 Ca -0.01 -0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 55.39 1sou n LEU 124 Cb 0.15 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1sou n LEU 124 CO 0.08 0.24 -1.13 1.21 -1.33 0.00 0.00 177.39 176.46 1sou n GLU 125 N -0.00 0.93 0.00 3.23 2.13 -1.26 -5.03 120.64 120.64 1sou n GLU 125 Ca 0.17 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1sou n GLU 125 Cb 0.27 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 1.97 2.00 3.92 8.31 0.00 -1.22 -4.98 105.19 115.20 1sou n GLY 126 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -2.00 3.49 -0.20 1.61 1.51 -1.26 -0.41 117.35 120.08 1sou s TYR 127 Ca 0.00 0.45 0.12 0.00 -1.01 0.00 0.00 57.07 56.63 1sou s TYR 127 Cb 0.00 -1.96 -0.21 0.00 -0.11 0.00 0.00 41.96 39.68 1sou s TYR 127 CO 0.00 0.21 -0.03 -2.13 -1.11 0.00 0.00 175.55 172.49 1sou n ARG 128 N -1.18 0.82 -3.56 -0.62 0.00 -1.12 -3.72 116.66 107.28 1sou n ARG 128 Ca -0.04 0.04 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 1sou n ARG 128 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.53 1sou n ARG 128 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sou n LEU 129 N -2.87 -1.49 0.00 6.15 7.94 -1.24 -3.61 117.00 121.88 1sou n LEU 129 Ca -0.35 -0.79 0.00 0.00 -1.11 0.00 0.00 56.01 53.76 1sou n LEU 129 Cb 1.06 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1sou n LEU 129 CO 0.34 0.34 0.00 0.61 -1.11 0.00 0.00 177.39 177.57 1sou n GLY 130 N -1.40 0.62 3.56 -3.96 0.00 -1.26 -2.44 105.19 100.30 1sou n GLY 130 Ca -0.27 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 1sou n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sou s PHE 131 N 1.03 1.76 0.00 1.61 0.08 -1.26 -4.75 117.98 116.45 1sou s PHE 131 Ca 0.00 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.73 1sou s PHE 131 Cb 0.00 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 1sou s PHE 131 CO 0.00 -1.90 0.00 0.41 -0.10 0.00 0.00 175.22 173.63 1sou n GLY 132 N 6.54 -1.41 3.21 4.36 0.00 -1.26 -5.01 105.19 111.63 1sou n GLY 132 Ca 0.35 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1sou n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sou s LYS 133 N -1.97 1.19 0.00 1.61 2.20 -1.26 -4.84 119.74 116.66 1sou s LYS 133 Ca 0.00 -1.62 0.00 0.00 -0.36 0.00 0.00 55.97 53.99 1sou s LYS 133 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1sou s LYS 133 CO 0.00 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 1sou n GLY 134 N -0.27 1.98 3.82 5.54 0.00 -1.26 -4.96 105.19 110.05 1sou n GLY 134 Ca 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1sou n GLY 134 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 135 N -0.04 3.21 0.00 1.61 2.02 -1.26 -3.48 117.35 119.42 1sou s TYR 135 Ca 0.00 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.18 1sou s TYR 135 Cb 0.00 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1sou s TYR 135 CO 0.00 -0.78 0.00 0.66 -1.57 0.00 0.00 175.55 173.86 1sou n TYR 136 N -1.89 0.00 -1.28 2.71 4.01 -1.26 -4.99 117.16 114.46 1sou n TYR 136 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.51 1sou n TYR 136 Cb 0.53 -0.68 0.10 0.00 -0.31 0.00 0.00 39.34 38.98 1sou n TYR 136 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1sou s ASP 137 N -2.52 4.39 0.00 7.72 2.15 -1.23 -2.53 116.67 124.65 1sou s ASP 137 Ca 0.00 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.71 1sou s ASP 137 Cb 0.00 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1sou s ASP 137 CO 0.00 -2.09 0.00 -1.14 -0.17 0.00 0.00 175.17 171.77 1sou n ARG 138 N -3.55 0.00 0.16 4.34 0.63 -1.26 -4.60 116.66 112.37 1sou n ARG 138 Ca 0.08 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.95 1sou n ARG 138 Cb 0.54 -0.16 -0.03 0.00 0.45 0.00 0.00 32.46 33.26 1sou n ARG 138 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1sou h LEU 139 N 0.00 -0.35 -0.25 6.15 5.85 -1.91 -2.65 115.31 122.15 1sou h LEU 139 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sou h LEU 139 Cb 0.00 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sou h LEU 139 CO 0.00 -0.19 0.00 0.18 -0.34 0.00 0.00 178.44 178.09 1sou n LEU 140 N -3.43 0.30 0.15 2.25 4.77 -1.05 -0.83 117.00 119.15 1sou n LEU 140 Ca -0.05 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.54 1sou n LEU 140 Cb 0.16 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1sou n LEU 140 CO 0.12 -0.33 0.51 0.11 -1.33 0.00 0.00 177.39 176.47 1sou h LYS 141 N 0.00 0.00 0.03 3.23 1.57 -1.83 -3.34 116.57 116.23 1sou h LYS 141 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1sou h LYS 141 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1sou h LYS 141 CO 0.00 0.37 -2.22 -2.13 -0.57 0.00 0.00 179.45 174.90 1sou n ARG 142 N -3.17 0.68 -2.23 3.15 0.63 -0.22 -4.72 116.66 110.79 1sou n ARG 142 Ca 0.02 0.16 -0.35 0.00 -0.92 0.00 0.00 57.85 56.76 1sou n ARG 142 Cb 0.69 -1.61 -0.04 0.00 0.45 0.00 0.00 32.46 31.95 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1sou s VAL 143 N -2.53 3.56 -0.36 5.15 1.01 -0.01 -4.55 120.40 122.68 1sou s VAL 143 Ca -0.21 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1sou s VAL 143 Cb 0.08 -4.34 0.69 0.00 0.00 0.00 0.00 36.38 32.81 1sou s VAL 143 CO 0.74 -1.28 1.80 0.29 0.00 0.00 0.00 175.10 176.65 1sou n LYS 144 N 9.02 3.06 -0.74 2.72 5.02 -1.26 -4.85 118.16 131.12 1sou n LYS 144 Ca 0.29 -3.07 -0.16 0.00 -2.02 0.00 0.00 58.31 53.35 1sou n LYS 144 Cb 0.49 -2.16 0.12 0.00 -0.02 0.00 0.00 35.03 33.47 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 145 N -0.57 -2.10 3.55 0.72 0.00 -1.26 -4.89 105.19 100.64 1sou n GLY 145 Ca 0.45 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 3.26 -0.63 0.99 2.96 -0.02 -4.90 118.68 120.35 1sou s LEU 146 Ca 0.39 0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 54.06 1sou s LEU 146 Cb -0.03 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.17 1sou s LEU 146 CO 0.29 -2.33 1.05 -0.54 -1.32 0.00 0.00 176.35 173.50 1sou s LYS 147 N 6.79 3.26 -0.26 1.98 1.02 -1.26 -0.92 119.74 130.34 1sou s LYS 147 Ca 0.62 -0.36 -0.09 0.00 0.02 0.00 0.00 55.97 56.16 1sou s LYS 147 Cb -0.11 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 1sou s LYS 147 CO 0.16 -1.75 0.12 0.08 -0.92 0.00 0.00 175.35 173.04 1sou s VAL 148 N 4.48 4.74 -0.04 3.17 1.01 0.38 -0.40 120.40 133.76 1sou s VAL 148 Ca 0.30 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 1sou s VAL 148 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1sou s VAL 148 CO 0.16 0.29 0.75 -0.83 0.00 0.00 0.00 175.10 175.47 1sou s GLY 149 N 1.68 2.69 -0.21 4.51 0.00 0.46 -0.71 107.32 115.73 1sou s GLY 149 Ca 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.97 1sou s GLY 149 CO 0.07 1.22 -0.09 0.14 0.00 0.00 0.00 173.10 174.44 1sou s VAL 150 N 0.66 2.94 0.23 1.40 1.01 -0.99 -0.72 120.40 124.93 1sou s VAL 150 Ca 0.39 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 1sou s VAL 150 Cb -0.19 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.91 1sou s VAL 150 CO 0.20 0.43 0.86 0.00 0.00 0.00 0.00 175.10 176.60 1sou s ALA 151 N 1.41 -1.40 0.53 5.51 0.00 -1.04 -4.16 121.76 122.61 1sou s ALA 151 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1sou s ALA 151 Cb -0.14 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1sou s ALA 151 CO -0.06 -1.04 0.83 0.71 0.00 0.00 0.00 175.76 176.20 1sou s TYR 152 N -3.33 3.40 -1.01 0.00 2.02 -1.26 -3.50 117.35 113.67 1sou s TYR 152 Ca 0.13 0.70 0.25 0.00 -0.37 0.00 0.00 57.07 57.78 1sou s TYR 152 Cb -0.04 -2.51 1.08 0.00 -0.40 0.00 0.00 41.96 40.10 1sou s TYR 152 CO 0.05 -0.54 1.81 -1.13 -1.57 0.00 0.00 175.55 174.17 1sou n SER 153 N -2.40 0.00 0.25 2.29 3.41 -1.26 -2.40 113.62 113.51 1sou n SER 153 Ca 0.02 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 1sou n SER 153 Cb 0.56 -0.50 0.60 0.00 -0.26 0.00 0.00 64.21 64.61 1sou n SER 153 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1sou h PHE 154 N 0.00 0.00 -0.42 7.33 0.04 -1.97 -2.64 116.94 119.27 1sou h PHE 154 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1sou h PHE 154 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 1sou h PHE 154 CO 0.00 0.08 0.01 1.04 -0.60 0.00 0.00 178.31 178.84 1sou n GLN 155 N -4.39 3.80 -3.64 1.51 3.00 -1.01 -4.90 117.38 111.75 1sou n GLN 155 Ca -0.03 -3.01 -0.39 0.00 -0.01 0.00 0.00 57.00 53.57 1sou n GLN 155 Cb 0.16 -2.05 -0.11 0.00 0.00 0.00 0.00 30.24 28.23 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1sou s VAL 156 N -2.83 4.75 0.09 5.09 1.01 -1.00 -1.49 120.40 126.02 1sou s VAL 156 Ca 0.48 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1sou s VAL 156 Cb 0.38 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1sou s VAL 156 CO 0.12 0.09 0.12 0.49 0.00 0.00 0.00 175.10 175.92 1sou n PHE 157 N 5.00 -2.76 -0.06 5.22 3.72 0.49 -4.98 117.46 124.09 1sou n PHE 157 Ca -0.14 -0.35 -0.22 0.00 -0.05 0.00 0.00 57.45 56.69 1sou n PHE 157 Cb 0.50 -0.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.82 1sou n PHE 157 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sou n GLU 158 N -1.16 0.66 -3.69 -1.08 1.02 -1.26 -3.24 120.64 111.89 1sou n GLU 158 Ca 0.02 0.37 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1sou n GLU 158 Cb 0.10 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 29.71 1sou n GLU 158 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1sou s ARG 159 N -2.48 0.21 0.23 3.49 1.70 -1.26 -1.47 118.95 119.37 1sou s ARG 159 Ca -0.28 0.69 -0.21 0.00 -0.47 0.00 0.00 55.73 55.46 1sou s ARG 159 Cb 0.07 -0.04 -0.08 0.00 -0.57 0.00 0.00 34.95 34.33 1sou s ARG 159 CO 0.66 -0.22 0.75 -0.51 -1.08 0.00 0.00 175.30 174.90 1sou s LEU 160 N 1.86 4.37 -0.62 -1.89 1.43 -1.26 -5.01 118.68 117.57 1sou s LEU 160 Ca -0.04 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 54.28 1sou s LEU 160 Cb -0.11 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1sou s LEU 160 CO -0.09 0.04 1.53 -2.84 0.23 0.00 0.00 176.35 175.22 1sou s PRO 161 N -1.89 3.06 0.19 1.29 0.02 -1.26 -5.00 135.00 131.41 1sou s PRO 161 Ca 0.43 0.35 0.07 0.00 0.02 0.00 0.00 61.00 61.87 1sou s PRO 161 Cb -0.18 -4.23 -0.04 0.00 0.02 0.00 0.00 34.50 30.08 1sou s PRO 161 CO 0.22 -2.25 0.06 1.03 -0.33 0.00 0.00 177.00 175.74 1sou s ARG 162 N 6.06 2.61 0.04 5.54 0.52 -1.26 -4.69 118.95 127.77 1sou s ARG 162 Ca 0.53 -1.06 -0.28 0.00 -0.52 0.00 0.00 55.73 54.41 1sou s ARG 162 Cb -0.11 -2.45 -0.17 0.00 0.52 0.00 0.00 34.95 32.74 1sou s ARG 162 CO 0.21 0.45 1.42 -0.44 0.02 0.00 0.00 175.30 176.96 1sou h ASP 163 N 2.40 -0.51 0.00 0.23 5.19 -2.01 -3.48 116.42 118.24 1sou h ASP 163 Ca -0.47 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1sou h ASP 163 Cb 1.21 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1sou h ASP 163 CO 0.60 -0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.49 1sou n ALA 164 N -2.46 0.00 -3.69 3.45 0.00 -1.26 -5.05 120.51 111.50 1sou n ALA 164 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 1sou n ALA 164 Cb 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 1sou n ALA 164 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1sou s TRP 165 N -2.00 2.28 0.48 0.00 -2.14 -1.26 -5.09 118.94 111.20 1sou s TRP 165 Ca 0.00 -2.72 -0.20 0.00 2.66 0.00 0.00 56.10 55.85 1sou s TRP 165 Cb 0.00 -1.90 -0.09 0.00 -3.10 0.00 0.00 33.47 28.38 1sou s TRP 165 CO 0.00 -0.71 0.99 0.34 -2.66 0.00 0.00 176.95 174.91 1sou s ASP 166 N -0.36 6.61 -0.33 -2.66 2.15 -1.26 -5.00 116.67 115.83 1sou s ASP 166 Ca 0.25 1.75 -0.29 0.00 0.43 0.00 0.00 52.55 54.69 1sou s ASP 166 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1sou s ASP 166 CO -0.11 -0.59 1.36 -0.63 -0.17 0.00 0.00 175.17 175.02 1sou s ILE 167 N -2.22 4.03 0.48 4.11 1.01 -1.26 -4.85 121.20 122.49 1sou s ILE 167 Ca 0.63 1.13 -0.04 0.00 0.00 0.00 0.00 60.65 62.37 1sou s ILE 167 Cb -0.12 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1sou s ILE 167 CO 0.20 -0.55 0.76 -2.16 0.00 0.00 0.00 174.94 173.19 1sou s PRO 168 N 4.45 3.37 0.52 2.79 0.04 -1.26 -2.78 135.00 142.13 1sou s PRO 168 Ca 0.59 0.00 0.08 0.00 0.04 0.00 0.00 61.00 61.71 1sou s PRO 168 Cb -0.16 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1sou s PRO 168 CO 0.27 -0.25 0.55 0.14 0.04 0.00 0.00 177.00 177.75 1sou s VAL 169 N -2.70 2.10 -0.26 -0.36 -7.23 0.45 -4.92 120.40 107.47 1sou s VAL 169 Ca 0.47 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1sou s VAL 169 Cb -0.10 -2.35 -0.15 0.00 0.56 0.00 0.00 36.38 34.33 1sou s VAL 169 CO 0.43 0.00 -0.26 0.47 -0.31 0.00 0.00 175.10 175.43 1sou n ASP 170 N -1.90 1.97 -4.12 4.85 8.00 0.47 -4.73 116.55 121.08 1sou n ASP 170 Ca 0.06 0.13 -0.22 0.00 0.71 0.00 0.00 54.79 55.47 1sou n ASP 170 Cb 0.63 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sou s VAL 171 N -2.51 1.14 -0.23 2.53 1.01 -0.95 -1.51 120.40 119.88 1sou s VAL 171 Ca -0.36 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1sou s VAL 171 Cb 0.12 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.56 1sou s VAL 171 CO 0.55 0.26 -0.11 -0.22 0.00 0.00 0.00 175.10 175.58 1sou s LEU 172 N -0.50 2.94 -0.24 3.92 2.96 -0.38 -0.40 118.68 126.98 1sou s LEU 172 Ca 0.05 -0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 52.97 1sou s LEU 172 Cb -0.06 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1sou s LEU 172 CO -0.00 -0.10 0.10 -0.69 -1.32 0.00 0.00 176.35 174.33 1sou s VAL 173 N 1.27 4.69 0.24 1.68 1.01 0.11 -0.35 120.40 129.04 1sou s VAL 173 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1sou s VAL 173 Cb -0.16 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1sou s VAL 173 CO -0.07 0.35 0.08 0.35 0.00 0.00 0.00 175.10 175.81 1sou n THR 174 N 4.58 0.00 0.43 3.92 -2.24 -0.88 -2.50 114.28 117.58 1sou n THR 174 Ca -0.16 -1.05 0.11 0.00 -2.27 0.00 0.00 64.05 60.68 1sou n THR 174 Cb 0.52 0.01 0.45 0.00 -2.10 0.00 0.00 70.33 69.21 1sou n THR 174 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sou n GLU 175 N -0.79 0.16 0.00 -0.78 0.28 -1.23 -4.37 120.64 113.91 1sou n GLU 175 Ca -0.06 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1sou n GLU 175 Cb 0.29 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1sou n GLU 175 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sou n LYS 176 N -2.09 0.00 -3.89 3.44 4.01 -1.26 -4.79 118.16 113.58 1sou n LYS 176 Ca 0.03 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.60 1sou n LYS 176 Cb 0.23 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.69 1sou n LYS 176 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1sou s ASN 177 N -4.69 4.75 -0.20 4.39 3.84 -1.26 -5.11 114.94 116.65 1sou s ASN 177 Ca 0.00 -0.87 -0.01 0.00 0.21 0.00 0.00 52.86 52.19 1sou s ASN 177 Cb 0.00 -0.58 0.01 0.00 -0.55 0.00 0.00 41.25 40.13 1sou s ASN 177 CO 0.00 -0.53 -0.12 -0.69 -2.79 0.00 0.00 177.10 172.96 1sou s VAL 178 N -2.51 2.65 -0.55 -5.21 1.01 -1.26 -2.07 120.40 112.46 1sou s VAL 178 Ca 0.43 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1sou s VAL 178 Cb -0.00 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1sou s VAL 178 CO 0.25 0.45 0.68 -0.13 0.00 0.00 0.00 175.10 176.34 1sou s ARG 179 N 1.36 3.09 -1.03 2.72 1.81 0.52 -4.96 118.95 122.47 1sou s ARG 179 Ca 0.05 -1.07 -0.23 0.00 -1.72 0.00 0.00 55.73 52.75 1sou s ARG 179 Cb -0.14 -4.18 0.05 0.00 -0.45 0.00 0.00 34.95 30.23 1sou s ARG 179 CO -0.08 -1.39 1.47 1.03 -0.68 0.00 0.00 175.30 175.65 1sou s ARG 180 N 2.72 3.59 -0.14 3.54 0.52 -1.26 -1.25 118.95 126.67 1sou s ARG 180 Ca 0.14 -1.14 -0.24 0.00 -0.52 0.00 0.00 55.73 53.96 1sou s ARG 180 Cb -0.21 -5.36 -0.22 0.00 0.52 0.00 0.00 34.95 29.68 1sou s ARG 180 CO 0.09 -2.23 0.59 -0.07 0.02 0.00 0.00 175.30 173.71 1sou h LEU 181 N 12.85 0.00 0.00 2.53 3.38 -1.82 -3.44 115.31 128.81 1sou h LEU 181 Ca 0.21 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1sou h LEU 181 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1sou h LEU 181 CO 1.43 0.99 0.00 0.54 0.09 0.00 0.00 178.44 181.49 1sou n ARG 182 N -4.61 0.00 0.00 1.13 3.00 -0.57 -4.89 116.66 110.71 1sou n ARG 182 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1sou n ARG 182 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 32.85 1sou n ARG 182 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1sou n ASP 183 N -0.15 0.00 -2.70 0.55 2.03 -1.26 -3.04 116.55 111.98 1sou n ASP 183 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1sou n ASP 183 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sou n GLY 184 N 0.00 5.71 0.02 0.27 0.00 -1.26 -4.61 105.19 105.31 1sou n GLY 184 Ca 0.00 -2.50 -0.00 0.00 0.00 0.00 0.00 46.02 43.51 1sou n GLY 184 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sou h ARG 185 N 2.71 0.00 0.00 1.61 9.65 -1.90 -3.47 114.38 122.98 1sou h ARG 185 Ca 0.53 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.41 1sou h ARG 185 Cb 0.39 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1sou h ARG 185 CO 1.34 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 182.98 1sou n SER 186 N -2.96 -0.79 -4.46 -3.80 3.41 -1.26 -4.71 113.62 99.05 1sou n SER 186 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 1sou n SER 186 Cb 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1sou n SER 186 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sou s LEU 187 N 0.00 2.78 0.00 1.04 1.43 -1.26 -4.89 118.68 117.78 1sou s LEU 187 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1sou s LEU 187 Cb 0.00 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1sou s LEU 187 CO 0.00 0.31 0.00 -0.62 0.23 0.00 0.00 176.35 176.27 1sou n GLU 188 N 2.58 0.00 -3.78 1.70 1.02 -1.26 -4.69 120.64 116.22 1sou n GLU 188 Ca -0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.87 1sou n GLU 188 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.90 1sou n GLU 188 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1sou s HIS 189 N 0.00 -0.03 -0.32 -0.32 -3.43 -1.26 -5.13 115.29 104.80 1sou s HIS 189 Ca 0.00 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 1sou s HIS 189 Cb 0.00 0.32 0.10 0.00 -1.43 0.00 0.00 32.58 31.57 1sou s HIS 189 CO 0.00 -0.89 0.09 -1.58 -2.00 0.00 0.00 174.74 170.36 1sou s HIS 190 N -3.89 2.08 -1.47 0.38 2.46 -1.26 -4.98 115.29 108.61 1sou s HIS 190 Ca 0.11 -1.97 -0.10 0.00 0.47 0.00 0.00 55.06 53.56 1sou s HIS 190 Cb -0.00 -1.94 0.03 0.00 -0.13 0.00 0.00 32.58 30.54 1sou s HIS 190 CO -0.02 -0.89 2.47 1.58 -2.47 0.00 0.00 174.74 175.41 1sou n HIS 191 N 4.73 2.87 0.11 3.88 -0.00 -1.26 -4.02 115.22 121.52 1sou n HIS 191 Ca -0.01 -2.96 0.01 0.00 -0.00 0.00 0.00 57.72 54.76 1sou n HIS 191 Cb 0.42 -2.31 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 1sou n HIS 191 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1sou n HIS 192 N 4.04 0.00 0.00 1.57 -0.00 -1.26 -4.81 115.22 114.76 1sou n HIS 192 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.34 1sou n HIS 192 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 1sou n HIS 192 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1sou n HIS 193 N -0.19 -0.46 -1.99 1.57 -0.00 -1.26 -5.33 115.22 107.58 1sou n HIS 193 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1sou n HIS 193 Cb 0.06 0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 1sou n HIS 193 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92